MolNFT v1 · #104236 · protein
Crystal structure of E.COLI aminopeptidase N in complex with actinonin
4Q4E: “Crystal structure of E.COLI aminopeptidase N in complex with actinonin”. X-ray diffraction, 3 ligands (BB2, ZN, NA), 10 pockets (best druggability 0.77). MolNFT v1 #104236 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4Q4E
- Type
- protein
- Length
- 866 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminopeptidase N
- EC
- 3.4.11.2
- UniProt
- P04825
- Ligands
- BB2, ZN, NA
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminopeptidase N (EC 3.4.11.2) | protein | 866 | 44% helix, 22% strand | P04825 |
Ligands and binding sites
- BB2 · Actinonin · ligand · chains A
- ZN · Zinc ion · metal · chains A
- NA · Sodium ion · metal · chains A
- GOL · Glycerol · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 422 | 0.77 | 0.86 | 51 | empty |
| 2 | 331 | 0.75 | 0.86 | 38 | empty |
| 3 | 227 | 0.71 | 0.87 | 41 | BB2, GOL |
| 4 | 642 | 0.68 | 0.77 | 58 | empty |
| 5 | 122 | 0.63 | 0.87 | 27 | BB2 |
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P04825
- Elsewhere: RCSB PDB 4Q4E · PDBe 4Q4E · UniProt P04825
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